REMARK  Name = BDB052636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.886  -1.714   0.980  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        2.624  -1.222   0.618  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.881  -0.576   1.591  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.544   0.050   1.594  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        0.317   0.542   3.004  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1        1.467   0.211   3.701  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        1.585   0.415   4.682  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -0.657   1.111   3.458  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.228   0.113   0.497  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1        2.384  -0.446   2.890  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.620  -0.934   3.268  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.381  -1.585   2.294  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.535   0.653   0.329  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.338   0.753  -0.810  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.570   1.351  -0.406  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.784   1.692  -1.144  0.00  0.00    +0.165 C 
ATOM     17  C   LIG    1       -5.939   2.249  -0.313  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -5.462   3.046   0.911  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -4.511   2.232   1.804  0.00  0.00    +0.054 C 
ATOM     20  O   LIG    1       -4.903   1.489  -2.350  0.00  0.00    -0.292 OA
ATOM     21  C   LIG    1       -3.473   1.606   0.944  0.00  0.00    +0.027 A 
ATOM     22  N   LIG    1       -2.251   1.181   1.380  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1       -1.924   1.253   2.339  0.00  0.00    +0.166 HD
BRANCH  14  24
ATOM     24  C   LIG    1       -1.997   0.320  -2.210  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.573  -1.043  -2.575  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.849  -2.179  -1.911  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -2.350  -3.054  -1.225  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.533  -2.217  -2.204  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -0.224  -3.047  -1.781  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  14  24
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  S   LIG    1        4.851  -2.601  -0.230  0.00  0.00    +0.000 S 
ATOM     31  O   LIG    1        3.939  -3.022  -1.279  0.00  0.00    -0.169 OA
ATOM     32  O   LIG    1        5.615  -3.591   0.507  0.00  0.00    -0.169 OA
BRANCH  30  33
ATOM     33  C   LIG    1        6.000  -1.391  -0.882  0.00  0.00    +0.198 C 
BRANCH  33  35
ATOM     34  C   LIG    1        5.291   0.091  -2.782  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        5.289  -0.208  -1.476  0.00  0.00    -0.012 C 
ENDBRANCH  33  35
ENDBRANCH  30  33
ENDBRANCH   1  30
TORSDOF 8